Synthesis and characterization of novel carbazole-based terpyridyl photosensitizers for dye-sensitized solar cells (DSSCs)

• Two novel heteroleptic Ru(II) terpyridyl complexes (DH-1 and DH-2) were developed.
• Both DH-1 (4.68%) and DH-2 (3.82%) were less efficient than N749 for DSSCs.
• HOMO was mainly delocalized on three NCS in the case of N749.
• HOMO was mainly delocalized on one NCS in DH-1 and on Cl in DH-2.

Two novel terpyridyl-based Ru(II) complexes, DH-1 and DH-2, were synthesized and characterized as photosensitizers for dye-sensitized solar cells. To enhance the thermal and photostability, a strong electron donor bidentate carbazole-based ancillary ligand was molecularly engineered and used to replace two monodentate labile isothiocyanates. Photovoltaic characterizations, I–V curve and IPCE, of DH-1 and DH-2 were carried out in presence of deoxycholic acid as an additive to determine the best device working conditions. DH-1 showed IPCE of 45% at 540 nm, short circuit photocurrent density (Jsc) of 11.69 mA cm−2, open circuit photovoltage (Voc) of 0.64 V, fill factor of 0.63, producing an overall conversion efficiency (η) of 4.68%, where DH-2 showed IPCE of 45% at 540 nm, Jsc of 10.90 mA cm−2, Voc of 0.59 V and FF of 0.59, which translated into η of 3.82%. DFT calculations rationalized the light harvesting efficiency and charge separation of why DH-1 > DH-2.